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Name
7-METHOXY-ISOQUINOLINE
- EINECS -0
- CAS No. 39989-39-4
- Article Data22
- CAS DataBase
- Density 1.131 g/cm3
- Solubility
- Melting Point
- Formula C10H9NO
- Boiling Point 295.593 °C at 760 mmHg
- Molecular Weight 159.188
- Flash Point 108.428 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms 7-Methoxy-isoquinoline;
- PSA 22.12000
- LogP 2.24340
7-Methoxyisoquinoline Specification
The CAS registry number of Isoquinoline,7-methoxy- is 39989-39-4. In addition, the molecular formula is C10H9NO and the molecular weight is 159.18. The IUPAC name is 7-methoxyisoquinoline. What's more, it is a irritating chemical and belongs to the classes of Heterocycles; Quinolines; Quinoline & Isoquinoline. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.642; (3)ACD/LogD (pH 7.4): 1.953; (4)ACD/BCF (pH 5.5): 8.739; (5)ACD/BCF (pH 7.4): 17.91; (6)ACD/KOC (pH 5.5): 133.434; (7)ACD/KOC (pH 7.4): 273.475; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22.12 Å2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 48.865 cm3; (13)Molar Volume: 140.775 cm3; (14)Polarizability: 19.372 ×10-24cm3; (15)Surface Tension: 43.689 dyne/cm; (16)Density: 1.131 g/cm3; (17)Flash Point: 108.428 °C; (18)Enthalpy of Vaporization: 51.388 kJ/mol; (19)Boiling Point: 295.593 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2ccncc2c1
(2)InChI: InChI=1/C10H9NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-7H,1H3
(3)InChIKey: PNNUXNXZDJVGSB-UHFFFAOYAG
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